(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C20H22F3N5O2 — CID 149022270

IUPAC(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2cnn(CCC(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C20H22F3N5O2/c1-12(13-3-4-15(29)7-13)30-19-16-11-27(2)26-18(16)8-17(25-19)14-9-24-28(10-14)6-5-20(21,22)23/h8-13H,3-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyQDRSXUDDSKKVNU-OLZOCXBDSA-N
MW421.42 g/mol
LogP3.92
Rot. Bonds6

About (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 149022270) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID149022270
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2cnn(CCC(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C20H22F3N5O2/c1-12(13-3-4-15(29)7-13)30-19-16-11-27(2)26-18(16)8-17(25-19)14-9-24-28(10-14)6-5-20(21,22)23/h8-13H,3-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyQDRSXUDDSKKVNU-OLZOCXBDSA-N
XLogP3.92
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
US9914735, Example 10
CID 118386426
4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 56942222
3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66826525
US9914735, Example 60
CID 118401285
US9914735, Example 51
CID 118401290
US9914735, Example 15
CID 118401303
US9914735, Example 61
CID 122498425
US10947243, Example 83
CID 134336016
US9914735, Example 82
CID 118386408
US9914735, Example 50
CID 118386418
US9914735, Example 3
CID 118386419

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 149022270) is (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1nc(-c2cnn(CCC(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is QDRSXUDDSKKVNU-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-12(13-3-4-15(29)7-13)30-19-16-11-27(2)26-18(16)8-17(25-19)14-9-24-28(10-14)6-5-20(21,22)23/h8-13H,3-7H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 421.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 149022270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).